General Information of the Compound
| Compound ID |
CP0859399
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| Compound Name |
ethyl 5-(1-(6H-thiazolo[5,4-e]indazol-2-ylamino)-2-methyl-1-oxopropan-2-ylamino)-2-fluorobenzoate
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| Structure |
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| Formula |
C21H20FN5O3S
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| Molecular Weight |
441.488
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| Canonical SMILES |
CCOC(=O)c1cc(NC(C)(C)C(=O)Nc2nc3ccc4[nH]ncc4c3s2)ccc1F
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| InChI |
InChI=1S/C21H20FN5O3S/c1-4-30-18(28)12-9-11(5-6-14(12)22)26-21(2,3)19(29)25-20-24-16-8-7-15-13(10-23-27-15)17(16)31-20/h5-10,26H,4H2,1-3H3,(H,23,27)(H,24,25,29)
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| InChIKey |
GICFUATVXISTTC-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound